Reference Intensity Ratio of clay minerals

2014-04-02 Thread Chrysochoou, Maria
Hello, I am wondering why the RIR of clay minerals such as vermiculite and montmorillonite is so high in the structural files (e.g. around 22-28). I am not a crystallographer, but I have noticed that high RIRs are usually associated with dense structures and heavy elements and neither is the ca

Re: Reference Intensity Ratio of clay minerals

2014-04-02 Thread Leonid Solovyov
The Rietveld-QPA doesn’t require RIR, as the peak intensities of phases are calculated from the structure models. What do you mean under “doing Rietveld” and ”structural files” in your case?   *** Leonid A. Solovyov Institute of Chemistry and C

Re: Reference Intensity Ratio of clay minerals

2014-04-02 Thread Reinhard Kleeberg
Dear Maria, indeed the relative intensities of the first basal reflection (you expressed this as RIR) of smectites/vermiculites are quite high. There are several reasons: 1) because of high d spacings / low diffraction angle peaks always cause high L and P factors 2) because the layered structu

Re: Reference Intensity Ratio of clay minerals

2014-04-02 Thread Leonid Solovyov
I'm not familiar with Jade, and from your description I may only speculate that such difference in calculated RIRs for the same structure may be caused by erroneous interpretation of the structure input files by the program (space group, site occupancies, etc.) or typos in the input.  

Re: Stacking faults and antiphase boundary

2014-04-02 Thread Luca Lutterotti
Dear Leonid, sorry to come back to an old thread, but there is something to be know that you didn't tell completely. So finally I came across this morning to a picture of the fit by ddm of this bbm48bis sample with planar defects (coming from Maud examples, picture and example now also on the ddm

Re: Stacking faults and antiphase boundary

2014-04-02 Thread Leonid Solovyov
Dear Luca, I'm glad to see your interest to the problem even after such a delay. >So in the end, your model for faulting as you describe:  >"A more general model [J Appl Cryst (2000) 338] is included in DDM:" was to >use a trigonal >cell with hexagonal axis to allow refining the anisotropic shif